1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C24H33N3O4S/c1-18-6-5-9-25(16-18)17-24(28)23-14-19(2)27(20(23)3)21-7-4-8-22(15-21)32(29,30)26-10-12-31-13-11-26/h4,7-8,14-15,18H,5-6,9-13,16-17H2,1-3H3/p+1/t18-/m0/s1